react-cheminfo 0.65.0 → 0.67.0

package/lib/ir/core/bandLabelPlan.js

@@ -12,6 +12,7 @@ import { chartPixel } from "../../chart/core/chartScale.js";
 import { PEAK_LABEL } from "../../chart/core/chartTheme.js";
 import { labelStackBaselines } from "../../chart/core/labelStack.js";
 import { bandLabel } from "./assignBands.js";
+import { bandHeight, bandValue } from "./irBand.js";
 import { formatWavenumber } from "./irFormat.js";
 import { bandsPointDown } from "./irMode.js";
 /**
@@ -34,30 +35,34 @@ export function planBandLabels(options) {
     const { assigned, plot, xScale, yScale, mode, showAssignments = false, limit = 12, } = options;
     const inside = [];
     for (const entry of assigned) {
+        // A band with no value on the axis being read has no tip to hang from.
+        const value = bandValue(entry.band, mode);
+        if (value === undefined)
+            continue;
         const pixelX = chartPixel(xScale, entry.band.wavenumber);
         if (!Number.isFinite(pixelX))
             continue;
         if (pixelX < plot.left || pixelX > plot.right)
             continue;
-        inside.push(entry);
+        inside.push({ entry, value });
     }
     const named = inside.length <= limit
         ? inside
         : inside
-            .toSorted((first, second) => second.band.absorbance - first.band.absorbance)
+            .toSorted((first, second) => bandHeight(second.entry.band) - bandHeight(first.entry.band))
             .slice(0, limit)
-            .toSorted((first, second) => first.band.wavenumber - second.band.wavenumber);
+            .toSorted((first, second) => first.entry.band.wavenumber - second.entry.band.wavenumber);
     const centres = new Float64Array(named.length);
     for (let index = 0; index < named.length; index++) {
-        centres[index] = chartPixel(xScale, named[index].band.wavenumber);
+        centres[index] = chartPixel(xScale, named[index].entry.band.wavenumber);
     }
     const placed = layoutAnnotationBoxes(centres, [plot.left, plot.right], LABEL_WIDTH, LABEL_GAP);
     const down = bandsPointDown(mode);
     const plans = new Array(named.length);
     for (let index = 0; index < named.length; index++) {
-        const entry = named[index];
+        const { entry, value } = named[index];
         const lines = labelLines(entry, showAssignments);
-        const tipY = chartPixel(yScale, mode === 'absorbance' ? entry.band.absorbance : entry.band.transmittance);
+        const tipY = chartPixel(yScale, value);
         plans[index] = {
             band: entry.band,
             tipX: centres[index],

package/lib/ir/core/bandLabelPlan.js.map

@@ -1 +1 @@
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+{"version":3,"file":"bandLabelPlan.js","sourceRoot":"","sources":["../../../src/ir/core/bandLabelPlan.ts"],"names":[],"mappings":"AAAA;;;;;;;;GAQG;AAEH,OAAO,EAAE,qBAAqB,EAAE,MAAM,+BAA+B,CAAC;AAGtE,OAAO,EAAE,UAAU,EAAE,MAAM,gCAAgC,CAAC;AAC5D,OAAO,EAAE,UAAU,EAAE,MAAM,gCAAgC,CAAC;AAC5D,OAAO,EAAE,mBAAmB,EAAE,MAAM,gCAAgC,CAAC;AAGrE,OAAO,EAAE,SAAS,EAAE,MAAM,kBAAkB,CAAC;AAE7C,OAAO,EAAE,UAAU,EAAE,SAAS,EAAE,MAAM,aAAa,CAAC;AACpD,OAAO,EAAE,gBAAgB,EAAE,MAAM,eAAe,CAAC;AACjD,OAAO,EAAE,cAAc,EAAE,MAAM,aAAa,CAAC;AAqD7C;;;;;;;;;;;;;;;GAeG;AACH,MAAM,UAAU,cAAc,CAAC,OAA6B;IAC1D,MAAM,EACJ,QAAQ,EACR,IAAI,EACJ,MAAM,EACN,MAAM,EACN,IAAI,EACJ,eAAe,GAAG,KAAK,EACvB,KAAK,GAAG,EAAE,GACX,GAAG,OAAO,CAAC;IAEZ,MAAM,MAAM,GAAgB,EAAE,CAAC;IAC/B,KAAK,MAAM,KAAK,IAAI,QAAQ,EAAE,CAAC;QAC7B,uEAAuE;QACvE,MAAM,KAAK,GAAG,SAAS,CAAC,KAAK,CAAC,IAAI,EAAE,IAAI,CAAC,CAAC;QAC1C,IAAI,KAAK,KAAK,SAAS;YAAE,SAAS;QAClC,MAAM,MAAM,GAAG,UAAU,CAAC,MAAM,EAAE,KAAK,CAAC,IAAI,CAAC,UAAU,CAAC,CAAC;QACzD,IAAI,CAAC,MAAM,CAAC,QAAQ,CAAC,MAAM,CAAC;YAAE,SAAS;QACvC,IAAI,MAAM,GAAG,IAAI,CAAC,IAAI,IAAI,MAAM,GAAG,IAAI,CAAC,KAAK;YAAE,SAAS;QACxD,MAAM,CAAC,IAAI,CAAC,EAAE,KAAK,EAAE,KAAK,EAAE,CAAC,CAAC;IAChC,CAAC;IAED,MAAM,KAAK,GACT,MAAM,CAAC,MAAM,IAAI,KAAK;QACpB,CAAC,CAAC,MAAM;QACR,CAAC,CAAC,MAAM;aACH,QAAQ,CACP,CAAC,KAAK,EAAE,MAAM,EAAE,EAAE,CAChB,UAAU,CAAC,MAAM,CAAC,KAAK,CAAC,IAAI,CAAC,GAAG,UAAU,CAAC,KAAK,CAAC,KAAK,CAAC,IAAI,CAAC,CAC/D;aACA,KAAK,CAAC,CAAC,EAAE,KAAK,CAAC;aACf,QAAQ,CACP,CAAC,KAAK,EAAE,MAAM,EAAE,EAAE,CAChB,KAAK,CAAC,KAAK,CAAC,IAAI,CAAC,UAAU,GAAG,MAAM,CAAC,KAAK,CAAC,IAAI,CAAC,UAAU,CAC7D,CAAC;IAEV,MAAM,OAAO,GAAG,IAAI,YAAY,CAAC,KAAK,CAAC,MAAM,CAAC,CAAC;IAC/C,KAAK,IAAI,KAAK,GAAG,CAAC,EAAE,KAAK,GAAG,KAAK,CAAC,MAAM,EAAE,KAAK,EAAE,EAAE,CAAC;QAClD,OAAO,CAAC,KAAK,CAAC,GAAG,UAAU,CACzB,MAAM,EACL,KAAK,CAAC,KAAK,CAAe,CAAC,KAAK,CAAC,IAAI,CAAC,UAAU,CAClD,CAAC;IACJ,CAAC;IACD,MAAM,MAAM,GAAG,qBAAqB,CAClC,OAAO,EACP,CAAC,IAAI,CAAC,IAAI,EAAE,IAAI,CAAC,KAAK,CAAC,EACvB,WAAW,EACX,SAAS,CACV,CAAC;IAEF,MAAM,IAAI,GAAG,cAAc,CAAC,IAAI,CAAC,CAAC;IAClC,MAAM,KAAK,GAAoB,IAAI,KAAK,CAAgB,KAAK,CAAC,MAAM,CAAC,CAAC;IACtE,KAAK,IAAI,KAAK,GAAG,CAAC,EAAE,KAAK,GAAG,KAAK,CAAC,MAAM,EAAE,KAAK,EAAE,EAAE,CAAC;QAClD,MAAM,EAAE,KAAK,EAAE,KAAK,EAAE,GAAG,KAAK,CAAC,KAAK,CAAc,CAAC;QACnD,MAAM,KAAK,GAAG,UAAU,CAAC,KAAK,EAAE,eAAe,CAAC,CAAC;QACjD,MAAM,IAAI,GAAG,UAAU,CAAC,MAAM,EAAE,KAAK,CAAC,CAAC;QACvC,KAAK,CAAC,KAAK,CAAC,GAAG;YACb,IAAI,EAAE,KAAK,CAAC,IAAI;YAChB,IAAI,EAAE,OAAO,CAAC,KAAK,CAAW;YAC9B,IAAI;YACJ,MAAM,EAAE,MAAM,CAAC,KAAK,CAAW;YAC/B,2EAA2E;YAC3E,sEAAsE;YACtE,SAAS,EAAE,mBAAmB,CAC5B,IAAI,EACJ,KAAK,CAAC,MAAM,EACZ,CAAC,IAAI,CAAC,GAAG,EAAE,IAAI,CAAC,MAAM,CAAC,EACvB,IAAI,CACL;YACD,KAAK;SACN,CAAC;IACJ,CAAC;IACD,OAAO,KAAK,CAAC;AACf,CAAC;AAUD;;;;;;;GAOG;AACH,MAAM,CAAC,MAAM,WAAW,GAAG,EAAE,CAAC;AAE9B,4DAA4D;AAC5D,MAAM,CAAC,MAAM,SAAS,GAAG,CAAC,CAAC;AAE3B,kEAAkE;AAClE,MAAM,CAAC,MAAM,SAAS,GAAG,UAAU,CAAC,OAAO,CAAC;AAE5C;;;;;GAKG;AACH,SAAS,UAAU,CAAC,KAAmB,EAAE,eAAwB;IAC/D,MAAM,KAAK,GAAG,CAAC,gBAAgB,CAAC,KAAK,CAAC,IAAI,CAAC,UAAU,CAAC,CAAC,CAAC;IACxD,IAAI,CAAC,eAAe;QAAE,OAAO,KAAK,CAAC;IACnC,MAAM,KAAK,GAAG,SAAS,CAAC,KAAK,CAAC,CAAC;IAC/B,yEAAyE;IACzE,qDAAqD;IACrD,IAAI,KAAK,KAAK,IAAI;QAAE,KAAK,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC;IACtC,OAAO,KAAK,CAAC;AACf,CAAC"}

package/lib/ir/core/index.d.ts

@@ -10,7 +10,8 @@
  * transmittance and a band points the other way in each, and that a wavenumber
  * maps to a range of vibrations rather than to one. Nothing here knows what a
  * glycan is, and nothing should: an infrared spectrum answers for whatever was
- * put in the beam.
+ * put in the beam. A Raman spectrum is the one other technique held, and what
+ * differs for it is in `IR_TECHNIQUE_RULES`.
  */
 export type { LoadedIrSpectrum } from './analysisSpectra.ts';
 export { analysisSpectra } from './analysisSpectra.ts';
@@ -25,19 +26,22 @@ export { downloadIrSpectra, downloadIrSpectrum } from './downloadSpectra.ts';
 export type { IrJcampReadOptions } from './fromJcamp.ts';
 export type { IrSpcReadOptions } from './fromSpc.ts';
 export type { IrBand, IrBandStrength } from './irBand.ts';
-export { sameIrBand } from './irBand.ts';
-export type { IrCommand, IrCommandHandlers, IrCommandId, IrGesture, IrShortcut, RunIrCommand, } from './irCommands.ts';
-export { irCommandLabel, irCommands } from './irCommands.ts';
+export { bandHeight, bandValue, sameIrBand } from './irBand.ts';
+export type { IrCommand, IrCommandHandlers, IrCommandId, IrCommandTable, IrGesture, IrShortcut, RunIrCommand, } from './irCommands.ts';
+export { irCommandEntryLabel, irCommandLabel, irCommands, } from './irCommands.ts';
+export { irCommandOffered, irCommandsFor } from './irTechniqueCommands.ts';
 export { LABEL_HEADROOM, X_DOMAIN_PADDING, Y_DOMAIN_PADDING, fittedTo, fullDomain, } from './irDomain.ts';
-export type { IrEditorHandle, ZoomToBandOptions } from './irEditorApi.ts';
-export { ABSORBANCE_DECIMALS, TRANSMITTANCE_DECIMALS, formatIrValue, formatWavenumber, shortModeLabel, } from './irFormat.ts';
+export type { IrEditorHandle, IrPlotClick, ZoomToBandOptions, } from './irEditorApi.ts';
+export { ABSORBANCE_DECIMALS, INTENSITY_DIGITS, TRANSMITTANCE_DECIMALS, formatIrValue, formatWavenumber, formatWavenumberRange, shortModeLabel, } from './irFormat.ts';
 export { IR_MODES, IR_MODE_RULES, bandsPointDown, boxZoomOnly, otherIrMode, yAxisRules, yAxisTitle, zoomGestures, } from './irMode.ts';
-export type { CreateIrStateOptions, IrAction } from './irReducer.ts';
-export { createIrState, irReducer } from './irReducer.ts';
+export type { IrAction } from './irReducer.ts';
+export { irReducer } from './irReducer.ts';
 export type { IrDomain, IrFormat, IrMeta, IrMetaField, IrMode, IrOrigin, IrSpectrum, IrTrace, } from './irSpectrum.ts';
 export { traceOf } from './irSpectrum.ts';
-export type { IrData, IrSettings, IrState, IrTool, IrView, PartialIrState, } from './irState.ts';
-export { DEFAULT_LABEL_LIMIT, DEFAULT_PICKING, DEFAULT_SETTINGS, DEFAULT_SIDE_PANEL, DEFAULT_SIDE_PANELS, MAXIMUM_LABEL_LIMIT, isIrWindow, mergeIrSettings, } from './irState.ts';
+export type { CreateIrStateOptions, IrData, IrSettings, IrState, IrTool, IrView, PartialIrState, } from './irState.ts';
+export { DEFAULT_LABEL_LIMIT, DEFAULT_PICKING, DEFAULT_SETTINGS, DEFAULT_SIDE_PANEL, DEFAULT_SIDE_PANELS, MAXIMUM_LABEL_LIMIT, createIrState, isIrWindow, mergeIrSettings, } from './irState.ts';
+export type { IrTechnique, IrTechniqueRules } from './irTechnique.ts';
+export { IR_TECHNIQUES, IR_TECHNIQUE_RULES, defaultIrMode, irModeFor, irModeTechnique, offersIrMode, } from './irTechnique.ts';
 export type { LoadIrSpectraOptions, LoadIrSpectraResult, } from './loadIrSpectra.ts';
 export { loadIrSpectra } from './loadIrSpectra.ts';
 export { BAND_HIT_RADIUS, nearestBandAt } from './nearestBand.ts';
@@ -46,6 +50,6 @@ export { pickBands } from './pickBands.ts';
 export { DEFAULT_DATA_TYPE, JCAMP_EXTENSION, JCAMP_MIME_TYPE, irSpectraToJcamp, irSpectrumToJcamp, } from './spectrumJcamp.ts';
 export type { ToIrSpectrumOptions } from './toIrSpectrum.ts';
 export { toIrSpectra, toIrSpectrum } from './toIrSpectrum.ts';
-export type { IrSidePanelId } from './irSidePanels.ts';
+export type { IrPanelId, IrSidePanelId } from './irSidePanels.ts';
 export { irSidePanels } from './irSidePanels.ts';
 //# sourceMappingURL=index.d.ts.map

package/lib/ir/core/index.d.ts.map

@@ -1 +1 @@
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+{"version":3,"file":"index.d.ts","sourceRoot":"","sources":["../../../src/ir/core/index.ts"],"names":[],"mappings":"AAAA;;;;;;;;;;;;;;GAcG;AAEH,YAAY,EAAE,gBAAgB,EAAE,MAAM,sBAAsB,CAAC;AAC7D,OAAO,EAAE,eAAe,EAAE,MAAM,sBAAsB,CAAC;AACvD,YAAY,EAAE,kBAAkB,EAAE,YAAY,EAAE,MAAM,kBAAkB,CAAC;AACzE,OAAO,EAAE,WAAW,EAAE,SAAS,EAAE,aAAa,EAAE,MAAM,kBAAkB,CAAC;AACzE,YAAY,EAAE,cAAc,EAAE,MAAM,sBAAsB,CAAC;AAC3D,OAAO,EAAE,gBAAgB,EAAE,MAAM,sBAAsB,CAAC;AACxD,YAAY,EAAE,aAAa,EAAE,oBAAoB,EAAE,MAAM,oBAAoB,CAAC;AAC9E,OAAO,EAAE,cAAc,EAAE,MAAM,oBAAoB,CAAC;AACpD,OAAO,EAAE,cAAc,EAAE,MAAM,qBAAqB,CAAC;AACrD,OAAO,EAAE,iBAAiB,EAAE,kBAAkB,EAAE,MAAM,sBAAsB,CAAC;AAC7E,YAAY,EAAE,kBAAkB,EAAE,MAAM,gBAAgB,CAAC;AACzD,YAAY,EAAE,gBAAgB,EAAE,MAAM,cAAc,CAAC;AACrD,YAAY,EAAE,MAAM,EAAE,cAAc,EAAE,MAAM,aAAa,CAAC;AAC1D,OAAO,EAAE,UAAU,EAAE,SAAS,EAAE,UAAU,EAAE,MAAM,aAAa,CAAC;AAChE,YAAY,EACV,SAAS,EACT,iBAAiB,EACjB,WAAW,EACX,cAAc,EACd,SAAS,EACT,UAAU,EACV,YAAY,GACb,MAAM,iBAAiB,CAAC;AACzB,OAAO,EACL,mBAAmB,EACnB,cAAc,EACd,UAAU,GACX,MAAM,iBAAiB,CAAC;AACzB,OAAO,EAAE,gBAAgB,EAAE,aAAa,EAAE,MAAM,0BAA0B,CAAC;AAC3E,OAAO,EACL,cAAc,EACd,gBAAgB,EAChB,gBAAgB,EAChB,QAAQ,EACR,UAAU,GACX,MAAM,eAAe,CAAC;AACvB,YAAY,EACV,cAAc,EACd,WAAW,EACX,iBAAiB,GAClB,MAAM,kBAAkB,CAAC;AAC1B,OAAO,EACL,mBAAmB,EACnB,gBAAgB,EAChB,sBAAsB,EACtB,aAAa,EACb,gBAAgB,EAChB,qBAAqB,EACrB,cAAc,GACf,MAAM,eAAe,CAAC;AACvB,OAAO,EACL,QAAQ,EACR,aAAa,EACb,cAAc,EACd,WAAW,EACX,WAAW,EACX,UAAU,EACV,UAAU,EACV,YAAY,GACb,MAAM,aAAa,CAAC;AACrB,YAAY,EAAE,QAAQ,EAAE,MAAM,gBAAgB,CAAC;AAC/C,OAAO,EAAE,SAAS,EAAE,MAAM,gBAAgB,CAAC;AAC3C,YAAY,EACV,QAAQ,EACR,QAAQ,EACR,MAAM,EACN,WAAW,EACX,MAAM,EACN,QAAQ,EACR,UAAU,EACV,OAAO,GACR,MAAM,iBAAiB,CAAC;AACzB,OAAO,EAAE,OAAO,EAAE,MAAM,iBAAiB,CAAC;AAC1C,YAAY,EACV,oBAAoB,EACpB,MAAM,EACN,UAAU,EACV,OAAO,EACP,MAAM,EACN,MAAM,EACN,cAAc,GACf,MAAM,cAAc,CAAC;AACtB,OAAO,EACL,mBAAmB,EACnB,eAAe,EACf,gBAAgB,EAChB,kBAAkB,EAClB,mBAAmB,EACnB,mBAAmB,EACnB,aAAa,EACb,UAAU,EACV,eAAe,GAChB,MAAM,cAAc,CAAC;AACtB,YAAY,EAAE,WAAW,EAAE,gBAAgB,EAAE,MAAM,kBAAkB,CAAC;AACtE,OAAO,EACL,aAAa,EACb,kBAAkB,EAClB,aAAa,EACb,SAAS,EACT,eAAe,EACf,YAAY,GACb,MAAM,kBAAkB,CAAC;AAC1B,YAAY,EACV,oBAAoB,EACpB,mBAAmB,GACpB,MAAM,oBAAoB,CAAC;AAC5B,OAAO,EAAE,aAAa,EAAE,MAAM,oBAAoB,CAAC;AACnD,OAAO,EAAE,eAAe,EAAE,aAAa,EAAE,MAAM,kBAAkB,CAAC;AAClE,YAAY,EAAE,gBAAgB,EAAE,MAAM,gBAAgB,CAAC;AACvD,OAAO,EAAE,SAAS,EAAE,MAAM,gBAAgB,CAAC;AAC3C,OAAO,EACL,iBAAiB,EACjB,eAAe,EACf,eAAe,EACf,gBAAgB,EAChB,iBAAiB,GAClB,MAAM,oBAAoB,CAAC;AAC5B,YAAY,EAAE,mBAAmB,EAAE,MAAM,mBAAmB,CAAC;AAC7D,OAAO,EAAE,WAAW,EAAE,YAAY,EAAE,MAAM,mBAAmB,CAAC;AAC9D,YAAY,EAAE,SAAS,EAAE,aAAa,EAAE,MAAM,mBAAmB,CAAC;AAClE,OAAO,EAAE,YAAY,EAAE,MAAM,mBAAmB,CAAC"}

package/lib/ir/core/index.js

@@ -10,7 +10,8 @@
  * transmittance and a band points the other way in each, and that a wavenumber
  * maps to a range of vibrations rather than to one. Nothing here knows what a
  * glycan is, and nothing should: an infrared spectrum answers for whatever was
- * put in the beam.
+ * put in the beam. A Raman spectrum is the one other technique held, and what
+ * differs for it is in `IR_TECHNIQUE_RULES`.
  */
 export { analysisSpectra } from "./analysisSpectra.js";
 export { assignBands, bandLabel, countAssigned } from "./assignBands.js";
@@ -18,14 +19,16 @@ export { BAND_ASSIGNMENTS } from "./bandAssignments.js";
 export { planBandLabels } from "./bandLabelPlan.js";
 export { detectIrFormat } from "./detectIrFormat.js";
 export { downloadIrSpectra, downloadIrSpectrum } from "./downloadSpectra.js";
-export { sameIrBand } from "./irBand.js";
-export { irCommandLabel, irCommands } from "./irCommands.js";
+export { bandHeight, bandValue, sameIrBand } from "./irBand.js";
+export { irCommandEntryLabel, irCommandLabel, irCommands, } from "./irCommands.js";
+export { irCommandOffered, irCommandsFor } from "./irTechniqueCommands.js";
 export { LABEL_HEADROOM, X_DOMAIN_PADDING, Y_DOMAIN_PADDING, fittedTo, fullDomain, } from "./irDomain.js";
-export { ABSORBANCE_DECIMALS, TRANSMITTANCE_DECIMALS, formatIrValue, formatWavenumber, shortModeLabel, } from "./irFormat.js";
+export { ABSORBANCE_DECIMALS, INTENSITY_DIGITS, TRANSMITTANCE_DECIMALS, formatIrValue, formatWavenumber, formatWavenumberRange, shortModeLabel, } from "./irFormat.js";
 export { IR_MODES, IR_MODE_RULES, bandsPointDown, boxZoomOnly, otherIrMode, yAxisRules, yAxisTitle, zoomGestures, } from "./irMode.js";
-export { createIrState, irReducer } from "./irReducer.js";
+export { irReducer } from "./irReducer.js";
 export { traceOf } from "./irSpectrum.js";
-export { DEFAULT_LABEL_LIMIT, DEFAULT_PICKING, DEFAULT_SETTINGS, DEFAULT_SIDE_PANEL, DEFAULT_SIDE_PANELS, MAXIMUM_LABEL_LIMIT, isIrWindow, mergeIrSettings, } from "./irState.js";
+export { DEFAULT_LABEL_LIMIT, DEFAULT_PICKING, DEFAULT_SETTINGS, DEFAULT_SIDE_PANEL, DEFAULT_SIDE_PANELS, MAXIMUM_LABEL_LIMIT, createIrState, isIrWindow, mergeIrSettings, } from "./irState.js";
+export { IR_TECHNIQUES, IR_TECHNIQUE_RULES, defaultIrMode, irModeFor, irModeTechnique, offersIrMode, } from "./irTechnique.js";
 export { loadIrSpectra } from "./loadIrSpectra.js";
 export { BAND_HIT_RADIUS, nearestBandAt } from "./nearestBand.js";
 export { pickBands } from "./pickBands.js";

package/lib/ir/core/index.js.map

@@ -1 +1 @@
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+{"version":3,"file":"index.js","sourceRoot":"","sources":["../../../src/ir/core/index.ts"],"names":[],"mappings":"AAAA;;;;;;;;;;;;;;GAcG;AAGH,OAAO,EAAE,eAAe,EAAE,MAAM,sBAAsB,CAAC;AAEvD,OAAO,EAAE,WAAW,EAAE,SAAS,EAAE,aAAa,EAAE,MAAM,kBAAkB,CAAC;AAEzE,OAAO,EAAE,gBAAgB,EAAE,MAAM,sBAAsB,CAAC;AAExD,OAAO,EAAE,cAAc,EAAE,MAAM,oBAAoB,CAAC;AACpD,OAAO,EAAE,cAAc,EAAE,MAAM,qBAAqB,CAAC;AACrD,OAAO,EAAE,iBAAiB,EAAE,kBAAkB,EAAE,MAAM,sBAAsB,CAAC;AAI7E,OAAO,EAAE,UAAU,EAAE,SAAS,EAAE,UAAU,EAAE,MAAM,aAAa,CAAC;AAUhE,OAAO,EACL,mBAAmB,EACnB,cAAc,EACd,UAAU,GACX,MAAM,iBAAiB,CAAC;AACzB,OAAO,EAAE,gBAAgB,EAAE,aAAa,EAAE,MAAM,0BAA0B,CAAC;AAC3E,OAAO,EACL,cAAc,EACd,gBAAgB,EAChB,gBAAgB,EAChB,QAAQ,EACR,UAAU,GACX,MAAM,eAAe,CAAC;AAMvB,OAAO,EACL,mBAAmB,EACnB,gBAAgB,EAChB,sBAAsB,EACtB,aAAa,EACb,gBAAgB,EAChB,qBAAqB,EACrB,cAAc,GACf,MAAM,eAAe,CAAC;AACvB,OAAO,EACL,QAAQ,EACR,aAAa,EACb,cAAc,EACd,WAAW,EACX,WAAW,EACX,UAAU,EACV,UAAU,EACV,YAAY,GACb,MAAM,aAAa,CAAC;AAErB,OAAO,EAAE,SAAS,EAAE,MAAM,gBAAgB,CAAC;AAW3C,OAAO,EAAE,OAAO,EAAE,MAAM,iBAAiB,CAAC;AAU1C,OAAO,EACL,mBAAmB,EACnB,eAAe,EACf,gBAAgB,EAChB,kBAAkB,EAClB,mBAAmB,EACnB,mBAAmB,EACnB,aAAa,EACb,UAAU,EACV,eAAe,GAChB,MAAM,cAAc,CAAC;AAEtB,OAAO,EACL,aAAa,EACb,kBAAkB,EAClB,aAAa,EACb,SAAS,EACT,eAAe,EACf,YAAY,GACb,MAAM,kBAAkB,CAAC;AAK1B,OAAO,EAAE,aAAa,EAAE,MAAM,oBAAoB,CAAC;AACnD,OAAO,EAAE,eAAe,EAAE,aAAa,EAAE,MAAM,kBAAkB,CAAC;AAElE,OAAO,EAAE,SAAS,EAAE,MAAM,gBAAgB,CAAC;AAC3C,OAAO,EACL,iBAAiB,EACjB,eAAe,EACf,eAAe,EACf,gBAAgB,EAChB,iBAAiB,GAClB,MAAM,oBAAoB,CAAC;AAE5B,OAAO,EAAE,WAAW,EAAE,YAAY,EAAE,MAAM,mBAAmB,CAAC;AAE9D,OAAO,EAAE,YAAY,EAAE,MAAM,mBAAmB,CAAC"}

package/lib/ir/core/irBand.d.ts

@@ -1,20 +1,22 @@
 /**
  * One band picked out of a spectrum.
  *
- * A band is the infrared analogue of a mass spectrum's peak: the thing a chemist
- * points at, names, and reads a functional group off. It carries both value axes
- * for the same reason the spectrum does — the band a reader sees at 30 percent
- * transmittance and the one a table calls strongly absorbing are one band, and
- * making the caller convert to find out would be the conversion this package
- * does not do.
+ * A band is the vibrational analogue of a mass spectrum's peak: the thing a
+ * chemist points at, names, and reads a functional group off. An infrared band
+ * carries both value axes for the same reason its spectrum does — the band a
+ * reader sees at 30 percent transmittance and the one a table calls strongly
+ * absorbing are one band, and making the caller convert to find out would be the
+ * conversion this package does not do. A Raman band carries its intensity.
  */
+import type { IrMode } from './irSpectrum.ts';
 /**
  * How strong a band is, in the letters a correlation table uses.
  *
- * `w` weak, `m` medium, `S` strong — `ir-spectrum` decides which from where the
- * band sits between the spectrum's own extremes, so the letters are relative to
- * the spectrum in hand rather than to an absolute absorbance. That is what a
- * printed table means by them too.
+ * `w` weak, `m` medium, `S` strong — decided from where the band sits between
+ * the spectrum's own extremes, so the letters are relative to the spectrum in
+ * hand rather than to an absolute value. That is what a printed table means by
+ * them too. `ir-spectrum` decides it for an infrared band from its
+ * transmittance, and the same rule is applied to a Raman band's intensity.
  */
 export type IrBandStrength = 'w' | 'm' | 'S';
 /** One band picked out of one spectrum. */
@@ -23,10 +25,21 @@ export interface IrBand {
     spectrumId: string;
     /** Where it sits, in cm⁻¹. */
     wavenumber: number;
-    /** Its absorbance, which is what it was picked as a maximum of. */
-    absorbance: number;
-    /** Its percent transmittance, the same band read the other way up. */
-    transmittance: number;
+    /**
+     * Its absorbance, which an infrared band is picked as a maximum of.
+     * @default undefined
+     */
+    absorbance?: number;
+    /**
+     * Its percent transmittance, the same infrared band read the other way up.
+     * @default undefined
+     */
+    transmittance?: number;
+    /**
+     * Its intensity, which a Raman band is picked as a maximum of.
+     * @default undefined
+     */
+    intensity?: number;
     /** How strong it is, relative to the spectrum it came from. */
     strength: IrBandStrength;
 }
@@ -42,4 +55,22 @@ export interface IrBand {
  * @returns Whether the report can be skipped.
  */
 export declare function sameIrBand(current: IrBand | null, next: IrBand | null): boolean;
+/**
+ * A band's value on the axis being read.
+ * @param band - The band.
+ * @param mode - Which value axis is being read.
+ * @returns The value, or `undefined` when its spectrum carries no such axis.
+ */
+export declare function bandValue(band: IrBand, mode: IrMode): number | undefined;
+/**
+ * How tall a band stands, which is what a cut to the strongest bands ranks by.
+ *
+ * The value it was picked as a maximum of: its absorbance for an infrared band,
+ * its intensity for a Raman one. Never its transmittance, in which a stronger
+ * band is a smaller number.
+ * @param band - The band.
+ * @returns The height, or negative infinity for a band carrying neither, so it
+ * ranks last.
+ */
+export declare function bandHeight(band: IrBand): number;
 //# sourceMappingURL=irBand.d.ts.map

package/lib/ir/core/irBand.d.ts.map

@@ -1 +1 @@
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+{"version":3,"file":"irBand.d.ts","sourceRoot":"","sources":["../../../src/ir/core/irBand.ts"],"names":[],"mappings":"AAAA;;;;;;;;;GASG;AAEH,OAAO,KAAK,EAAE,MAAM,EAAE,MAAM,iBAAiB,CAAC;AAE9C;;;;;;;;GAQG;AACH,MAAM,MAAM,cAAc,GAAG,GAAG,GAAG,GAAG,GAAG,GAAG,CAAC;AAE7C,2CAA2C;AAC3C,MAAM,WAAW,MAAM;IACrB,mDAAmD;IACnD,UAAU,EAAE,MAAM,CAAC;IACnB,8BAA8B;IAC9B,UAAU,EAAE,MAAM,CAAC;IACnB;;;OAGG;IACH,UAAU,CAAC,EAAE,MAAM,CAAC;IACpB;;;OAGG;IACH,aAAa,CAAC,EAAE,MAAM,CAAC;IACvB;;;OAGG;IACH,SAAS,CAAC,EAAE,MAAM,CAAC;IACnB,+DAA+D;IAC/D,QAAQ,EAAE,cAAc,CAAC;CAC1B;AAED;;;;;;;;;;GAUG;AACH,wBAAgB,UAAU,CACxB,OAAO,EAAE,MAAM,GAAG,IAAI,EACtB,IAAI,EAAE,MAAM,GAAG,IAAI,GAClB,OAAO,CAOT;AAED;;;;;GAKG;AACH,wBAAgB,SAAS,CAAC,IAAI,EAAE,MAAM,EAAE,IAAI,EAAE,MAAM,GAAG,MAAM,GAAG,SAAS,CAExE;AAED;;;;;;;;;GASG;AACH,wBAAgB,UAAU,CAAC,IAAI,EAAE,MAAM,GAAG,MAAM,CAE/C"}

package/lib/ir/core/irBand.js

@@ -1,12 +1,12 @@
 /**
  * One band picked out of a spectrum.
  *
- * A band is the infrared analogue of a mass spectrum's peak: the thing a chemist
- * points at, names, and reads a functional group off. It carries both value axes
- * for the same reason the spectrum does — the band a reader sees at 30 percent
- * transmittance and the one a table calls strongly absorbing are one band, and
- * making the caller convert to find out would be the conversion this package
- * does not do.
+ * A band is the vibrational analogue of a mass spectrum's peak: the thing a
+ * chemist points at, names, and reads a functional group off. An infrared band
+ * carries both value axes for the same reason its spectrum does — the band a
+ * reader sees at 30 percent transmittance and the one a table calls strongly
+ * absorbing are one band, and making the caller convert to find out would be the
+ * conversion this package does not do. A Raman band carries its intensity.
  */
 /**
  * Whether two bands are the same band.
@@ -27,4 +27,26 @@ export function sameIrBand(current, next) {
     return (current.spectrumId === next.spectrumId &&
         current.wavenumber === next.wavenumber);
 }
+/**
+ * A band's value on the axis being read.
+ * @param band - The band.
+ * @param mode - Which value axis is being read.
+ * @returns The value, or `undefined` when its spectrum carries no such axis.
+ */
+export function bandValue(band, mode) {
+    return band[mode];
+}
+/**
+ * How tall a band stands, which is what a cut to the strongest bands ranks by.
+ *
+ * The value it was picked as a maximum of: its absorbance for an infrared band,
+ * its intensity for a Raman one. Never its transmittance, in which a stronger
+ * band is a smaller number.
+ * @param band - The band.
+ * @returns The height, or negative infinity for a band carrying neither, so it
+ * ranks last.
+ */
+export function bandHeight(band) {
+    return band.absorbance ?? band.intensity ?? Number.NEGATIVE_INFINITY;
+}
 //# sourceMappingURL=irBand.js.map

package/lib/ir/core/irBand.js.map

@@ -1 +1 @@
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+{"version":3,"file":"irBand.js","sourceRoot":"","sources":["../../../src/ir/core/irBand.ts"],"names":[],"mappings":"AAAA;;;;;;;;;GASG;AAwCH;;;;;;;;;;GAUG;AACH,MAAM,UAAU,UAAU,CACxB,OAAsB,EACtB,IAAmB;IAEnB,IAAI,OAAO,KAAK,IAAI;QAAE,OAAO,IAAI,CAAC;IAClC,IAAI,OAAO,KAAK,IAAI,IAAI,IAAI,KAAK,IAAI;QAAE,OAAO,KAAK,CAAC;IACpD,OAAO,CACL,OAAO,CAAC,UAAU,KAAK,IAAI,CAAC,UAAU;QACtC,OAAO,CAAC,UAAU,KAAK,IAAI,CAAC,UAAU,CACvC,CAAC;AACJ,CAAC;AAED;;;;;GAKG;AACH,MAAM,UAAU,SAAS,CAAC,IAAY,EAAE,IAAY;IAClD,OAAO,IAAI,CAAC,IAAI,CAAC,CAAC;AACpB,CAAC;AAED;;;;;;;;;GASG;AACH,MAAM,UAAU,UAAU,CAAC,IAAY;IACrC,OAAO,IAAI,CAAC,UAAU,IAAI,IAAI,CAAC,SAAS,IAAI,MAAM,CAAC,iBAAiB,CAAC;AACvE,CAAC"}

package/lib/ir/core/irCommands.d.ts

@@ -10,6 +10,9 @@
  * this one, because a module that exports a component and a constant together
  * cannot be hot reloaded — `react-refresh/only-export-components` is the rule
  * that says so, and the split is the fix rather than the exception.
+ *
+ * This is the infrared table; `irTechniqueCommands.ts` derives the Raman one
+ * from it.
  */
 /** The key a command answers to. */
 export interface IrShortcut {
@@ -155,6 +158,8 @@ export declare const irCommands: {
 };
 /** Identity of one of the commands the viewer offers. */
 export type IrCommandId = keyof typeof irCommands;
+/** The commands a viewer offers, in the order they are reached for. */
+export type IrCommandTable = Readonly<Partial<Record<IrCommandId, IrCommand>>>;
 /** What to do when each command is run, as the shell wires them. */
 export type IrCommandHandlers = Partial<Record<IrCommandId, (() => void) | undefined>>;
 /** How a component runs a command. */
@@ -165,4 +170,10 @@ export type RunIrCommand = (id: IrCommandId) => void;
  * @returns The title, and the key in parentheses when it has one.
  */
 export declare function irCommandLabel(id: IrCommandId): string;
+/**
+ * A command's title, with its key in parentheses when it has one.
+ * @param entry - The command, as a table words it.
+ * @returns The label.
+ */
+export declare function irCommandEntryLabel(entry: IrCommand): string;
 //# sourceMappingURL=irCommands.d.ts.map

package/lib/ir/core/irCommands.d.ts.map

@@ -1 +1 @@
-{"version":3,"file":"irCommands.d.ts","sourceRoot":"","sources":["../../../src/ir/core/irCommands.ts"],"names":[],"mappings":"AAAA;;;;;;;;;;;;GAYG;AAEH,oCAAoC;AACpC,MAAM,WAAW,UAAU;IACzB,yEAAyE;IACzE,IAAI,EAAE,SAAS,MAAM,EAAE,CAAC;IACxB;;;OAGG;IACH,KAAK,CAAC,EAAE,SAAS,MAAM,EAAE,CAAC;CAC3B;AAED,4EAA4E;AAC5E,MAAM,WAAW,SAAS;IACxB,0DAA0D;IAC1D,KAAK,EAAE,MAAM,CAAC;IACd,+CAA+C;IAC/C,SAAS,EAAE,SAAS,MAAM,EAAE,CAAC;CAC9B;AAED,+CAA+C;AAC/C,MAAM,WAAW,SAAS;IACxB,8DAA8D;IAC9D,KAAK,EAAE,MAAM,CAAC;IACd;;;OAGG;IACH,QAAQ,CAAC,EAAE,UAAU,CAAC;IACtB;;;OAGG;IACH,WAAW,CAAC,EAAE,MAAM,CAAC;IACrB;;;OAGG;IACH,QAAQ,CAAC,EAAE,SAAS,SAAS,EAAE,CAAC;CACjC;AAED,oEAAoE;AACpE,eAAO,MAAM,UAAU;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;CA4EuB,CAAC;AAE/C,yDAAyD;AACzD,MAAM,MAAM,WAAW,GAAG,MAAM,OAAO,UAAU,CAAC;AAElD,oEAAoE;AACpE,MAAM,MAAM,iBAAiB,GAAG,OAAO,CACrC,MAAM,CAAC,WAAW,EAAE,CAAC,MAAM,IAAI,CAAC,GAAG,SAAS,CAAC,CAC9C,CAAC;AAEF,sCAAsC;AACtC,MAAM,MAAM,YAAY,GAAG,CAAC,EAAE,EAAE,WAAW,KAAK,IAAI,CAAC;AAErD;;;;GAIG;AACH,wBAAgB,cAAc,CAAC,EAAE,EAAE,WAAW,GAAG,MAAM,CAItD"}
+{"version":3,"file":"irCommands.d.ts","sourceRoot":"","sources":["../../../src/ir/core/irCommands.ts"],"names":[],"mappings":"AAAA;;;;;;;;;;;;;;;GAeG;AAEH,oCAAoC;AACpC,MAAM,WAAW,UAAU;IACzB,yEAAyE;IACzE,IAAI,EAAE,SAAS,MAAM,EAAE,CAAC;IACxB;;;OAGG;IACH,KAAK,CAAC,EAAE,SAAS,MAAM,EAAE,CAAC;CAC3B;AAED,4EAA4E;AAC5E,MAAM,WAAW,SAAS;IACxB,0DAA0D;IAC1D,KAAK,EAAE,MAAM,CAAC;IACd,+CAA+C;IAC/C,SAAS,EAAE,SAAS,MAAM,EAAE,CAAC;CAC9B;AAED,+CAA+C;AAC/C,MAAM,WAAW,SAAS;IACxB,8DAA8D;IAC9D,KAAK,EAAE,MAAM,CAAC;IACd;;;OAGG;IACH,QAAQ,CAAC,EAAE,UAAU,CAAC;IACtB;;;OAGG;IACH,WAAW,CAAC,EAAE,MAAM,CAAC;IACrB;;;OAGG;IACH,QAAQ,CAAC,EAAE,SAAS,SAAS,EAAE,CAAC;CACjC;AAED,oEAAoE;AACpE,eAAO,MAAM,UAAU;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;CA4EuB,CAAC;AAE/C,yDAAyD;AACzD,MAAM,MAAM,WAAW,GAAG,MAAM,OAAO,UAAU,CAAC;AAElD,uEAAuE;AACvE,MAAM,MAAM,cAAc,GAAG,QAAQ,CAAC,OAAO,CAAC,MAAM,CAAC,WAAW,EAAE,SAAS,CAAC,CAAC,CAAC,CAAC;AAE/E,oEAAoE;AACpE,MAAM,MAAM,iBAAiB,GAAG,OAAO,CACrC,MAAM,CAAC,WAAW,EAAE,CAAC,MAAM,IAAI,CAAC,GAAG,SAAS,CAAC,CAC9C,CAAC;AAEF,sCAAsC;AACtC,MAAM,MAAM,YAAY,GAAG,CAAC,EAAE,EAAE,WAAW,KAAK,IAAI,CAAC;AAErD;;;;GAIG;AACH,wBAAgB,cAAc,CAAC,EAAE,EAAE,WAAW,GAAG,MAAM,CAEtD;AAED;;;;GAIG;AACH,wBAAgB,mBAAmB,CAAC,KAAK,EAAE,SAAS,GAAG,MAAM,CAG5D"}

package/lib/ir/core/irCommands.js

@@ -10,6 +10,9 @@
  * this one, because a module that exports a component and a constant together
  * cannot be hot reloaded — `react-refresh/only-export-components` is the rule
  * that says so, and the split is the fix rather than the exception.
+ *
+ * This is the infrared table; `irTechniqueCommands.ts` derives the Raman one
+ * from it.
  */
 /** Everything the viewer offers, in the order it is reached for. */
 export const irCommands = {
@@ -87,7 +90,14 @@ export const irCommands = {
  * @returns The title, and the key in parentheses when it has one.
  */
 export function irCommandLabel(id) {
-    const entry = irCommands[id];
+    return irCommandEntryLabel(irCommands[id]);
+}
+/**
+ * A command's title, with its key in parentheses when it has one.
+ * @param entry - The command, as a table words it.
+ * @returns The label.
+ */
+export function irCommandEntryLabel(entry) {
     const key = entry.shortcut?.label?.[0] ?? entry.shortcut?.keys[0];
     return key === undefined ? entry.title : `${entry.title} (${key})`;
 }

package/lib/ir/core/irCommands.js.map

@@ -1 +1 @@
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+{"version":3,"file":"irCommands.js","sourceRoot":"","sources":["../../../src/ir/core/irCommands.ts"],"names":[],"mappings":"AAAA;;;;;;;;;;;;;;;GAeG;AA0CH,oEAAoE;AACpE,MAAM,CAAC,MAAM,UAAU,GAAG;IACxB,KAAK,EAAE;QACL,KAAK,EAAE,2BAA2B;QAClC,WAAW,EAAE,0DAA0D;KACxE;IACD,aAAa,EAAE;QACb,KAAK,EAAE,eAAe;QACtB,QAAQ,EAAE,EAAE,IAAI,EAAE,CAAC,GAAG,CAAC,EAAE;QACzB,WAAW,EACT,kEAAkE;KACrE;IACD,UAAU,EAAE;QACV,KAAK,EAAE,aAAa;QACpB,WAAW,EACT,0FAA0F;KAC7F;IACD,QAAQ,EAAE;QACR,KAAK,EAAE,MAAM;QACb,QAAQ,EAAE,EAAE,IAAI,EAAE,CAAC,GAAG,CAAC,EAAE;QACzB,WAAW,EACT,uOAAuO;QACzO,QAAQ,EAAE,CAAC,EAAE,KAAK,EAAE,oBAAoB,EAAE,SAAS,EAAE,CAAC,MAAM,CAAC,EAAE,CAAC;KACjE;IACD,OAAO,EAAE;QACP,KAAK,EAAE,aAAa;QACpB,QAAQ,EAAE,EAAE,IAAI,EAAE,CAAC,GAAG,CAAC,EAAE;QACzB,WAAW,EACT,mMAAmM;QACrM,QAAQ,EAAE,CAAC,EAAE,KAAK,EAAE,gBAAgB,EAAE,SAAS,EAAE,CAAC,kBAAkB,CAAC,EAAE,CAAC;KACzE;IACD,MAAM,EAAE;QACN,KAAK,EAAE,SAAS;QAChB,QAAQ,EAAE,EAAE,IAAI,EAAE,CAAC,GAAG,EAAE,GAAG,CAAC,EAAE;QAC9B,WAAW,EAAE,8DAA8D;QAC3E,QAAQ,EAAE,CAAC,EAAE,KAAK,EAAE,oBAAoB,EAAE,SAAS,EAAE,CAAC,cAAc,CAAC,EAAE,CAAC;KACzE;IACD,OAAO,EAAE;QACP,KAAK,EAAE,UAAU;QACjB,QAAQ,EAAE,EAAE,IAAI,EAAE,CAAC,GAAG,CAAC,EAAE;QACzB,WAAW,EAAE,qCAAqC;QAClD,QAAQ,EAAE,CAAC,EAAE,KAAK,EAAE,oBAAoB,EAAE,SAAS,EAAE,CAAC,cAAc,CAAC,EAAE,CAAC;KACzE;IACD,SAAS,EAAE;QACT,KAAK,EAAE,aAAa;QACpB,QAAQ,EAAE,EAAE,IAAI,EAAE,CAAC,GAAG,CAAC,EAAE;QACzB,WAAW,EAAE,4CAA4C;QACzD,QAAQ,EAAE,CAAC,EAAE,KAAK,EAAE,gBAAgB,EAAE,SAAS,EAAE,CAAC,cAAc,CAAC,EAAE,CAAC;KACrE;IACD,UAAU,EAAE;QACV,KAAK,EAAE,6BAA6B;QACpC,QAAQ,EAAE,EAAE,IAAI,EAAE,CAAC,GAAG,CAAC,EAAE;QACzB,WAAW,EACT,2HAA2H;KAC9H;IACD,aAAa,EAAE;QACb,KAAK,EAAE,gBAAgB;QACvB,QAAQ,EAAE,EAAE,IAAI,EAAE,CAAC,GAAG,CAAC,EAAE;QACzB,WAAW,EACT,iHAAiH;KACpH;IACD,iBAAiB,EAAE;QACjB,KAAK,EAAE,sBAAsB;QAC7B,QAAQ,EAAE,EAAE,IAAI,EAAE,CAAC,GAAG,CAAC,EAAE;QACzB,WAAW,EACT,4GAA4G;KAC/G;IACD,WAAW,EAAE;QACX,KAAK,EAAE,cAAc;QACrB,QAAQ,EAAE,EAAE,IAAI,EAAE,CAAC,GAAG,CAAC,EAAE;QACzB,WAAW,EACT,8FAA8F;KACjG;IACD,KAAK,EAAE;QACL,KAAK,EAAE,sBAAsB;QAC7B,WAAW,EAAE,qCAAqC;KACnD;CAC2C,CAAC;AAgB/C;;;;GAIG;AACH,MAAM,UAAU,cAAc,CAAC,EAAe;IAC5C,OAAO,mBAAmB,CAAC,UAAU,CAAC,EAAE,CAAC,CAAC,CAAC;AAC7C,CAAC;AAED;;;;GAIG;AACH,MAAM,UAAU,mBAAmB,CAAC,KAAgB;IAClD,MAAM,GAAG,GAAG,KAAK,CAAC,QAAQ,EAAE,KAAK,EAAE,CAAC,CAAC,CAAC,IAAI,KAAK,CAAC,QAAQ,EAAE,IAAI,CAAC,CAAC,CAAC,CAAC;IAClE,OAAO,GAAG,KAAK,SAAS,CAAC,CAAC,CAAC,KAAK,CAAC,KAAK,CAAC,CAAC,CAAC,GAAG,KAAK,CAAC,KAAK,KAAK,GAAG,GAAG,CAAC;AACrE,CAAC"}

package/lib/ir/core/irDomain.d.ts

@@ -5,9 +5,10 @@
  * something usable when it is handed nothing at all — a chart with no data is
  * still mounted, still measured, and still builds its scales.
  *
- * The x window is in ascending wavenumbers even though the axis is drawn from
- * 4000 down to 400: which way round it is read is the chart's business, and
- * every piece of arithmetic that moves a window expects its ends in order.
+ * The x window is in ascending wavenumbers even though the infrared axis is
+ * drawn from 4000 down to 400: which way round it is read is the chart's
+ * business, and every piece of arithmetic that moves a window expects its ends
+ * in order.
  */
 import type { IrDomain, IrMode, IrSpectrum } from './irSpectrum.ts';
 /**

package/lib/ir/core/irDomain.d.ts.map

@@ -1 +1 @@
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+{"version":3,"file":"irDomain.d.ts","sourceRoot":"","sources":["../../../src/ir/core/irDomain.ts"],"names":[],"mappings":"AAAA;;;;;;;;;;;GAWG;AAKH,OAAO,KAAK,EAAE,QAAQ,EAAE,MAAM,EAAE,UAAU,EAAE,MAAM,iBAAiB,CAAC;AAGpE;;;;;GAKG;AACH,eAAO,MAAM,gBAAgB,OAAO,CAAC;AAErC,kFAAkF;AAClF,eAAO,MAAM,gBAAgB,OAAO,CAAC;AAErC;;;;;;;;GAQG;AACH,eAAO,MAAM,cAAc,MAAM,CAAC;AAElC;;;;;;;;;;;GAWG;AACH,wBAAgB,UAAU,CACxB,OAAO,EAAE,SAAS,UAAU,EAAE,EAC9B,IAAI,EAAE,MAAM,GACX,QAAQ,CAyBV;AAED;;;;;;;;;;;;;;;;GAgBG;AACH,wBAAgB,QAAQ,CAAC,OAAO,EAAE,SAAS,UAAU,EAAE,EAAE,IAAI,EAAE,MAAM,GAAG,MAAM,CAO7E"}

package/lib/ir/core/irDomain.js

@@ -5,9 +5,10 @@
  * something usable when it is handed nothing at all — a chart with no data is
  * still mounted, still measured, and still builds its scales.
  *
- * The x window is in ascending wavenumbers even though the axis is drawn from
- * 4000 down to 400: which way round it is read is the chart's business, and
- * every piece of arithmetic that moves a window expects its ends in order.
+ * The x window is in ascending wavenumbers even though the infrared axis is
+ * drawn from 4000 down to 400: which way round it is read is the chart's
+ * business, and every piece of arithmetic that moves a window expects its ends
+ * in order.
  */
 import { xMaxValue, xMinValue } from 'ml-spectra-processing';
 import { bandsPointDown } from "./irMode.js";
@@ -46,9 +47,8 @@ export const LABEL_HEADROOM = 0.2;
 export function fullDomain(spectra, mode) {
     const extent = traceExtent(spectra, mode, false) ?? traceExtent(spectra, mode, true);
     if (extent === null) {
-        return mode === 'absorbance'
-            ? { x: [400, 4000], y: [0, 1] }
-            : { x: [400, 4000], y: [0, 100] };
+        // A percentage runs to 100; absorbance and intensity are open at the top.
+        return { x: [400, 4000], y: mode === 'transmittance' ? [0, 100] : [0, 1] };
     }
     const { xMinimum, xMaximum, yMinimum, yMaximum } = extent;
     const xPadding = (xMaximum - xMinimum) * X_DOMAIN_PADDING;
@@ -106,7 +106,10 @@ function traceExtent(spectra, mode, includeExcluded) {
             continue;
         if (!includeExcluded && spectrum.excludeFromDomain)
             continue;
-        const { x, y } = traceOf(spectrum, mode);
+        const trace = traceOf(spectrum, mode);
+        if (trace === undefined)
+            continue;
+        const { x, y } = trace;
         if (x.length === 0 || y.length === 0)
             continue;
         // The wavenumber ends are read off the first and last sample rather than

package/lib/ir/core/irDomain.js.map

@@ -1 +1 @@
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package/lib/ir/core/irEditorApi.d.ts

@@ -39,4 +39,16 @@ export interface IrEditorHandle {
     /** Point the panels at one spectrum, or at none. */
     selectSpectrum: (id: string | null) => void;
 }
+/**
+ * A click on the plot, as the viewer tells its host about it.
+ *
+ * A click is a press let go over the plot without travelling: the end of a
+ * zoom drag is never one, and a click on the axis labels is not reported.
+ */
+export interface IrPlotClick {
+    /** Where it landed on the horizontal axis, in cm⁻¹ — a Raman shift for Raman. */
+    wavenumber: number;
+    /** Identity of the spectrum selected when it was made, `null` for none. */
+    spectrumId: string | null;
+}
 //# sourceMappingURL=irEditorApi.d.ts.map

package/lib/ir/core/irEditorApi.d.ts.map

@@ -1 +1 @@
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+{"version":3,"file":"irEditorApi.d.ts","sourceRoot":"","sources":["../../../src/ir/core/irEditorApi.ts"],"names":[],"mappings":"AAAA;;;;;;;GAOG;AAEH,OAAO,KAAK,EAAE,QAAQ,EAAE,UAAU,EAAE,MAAM,iBAAiB,CAAC;AAE5D,6EAA6E;AAC7E,MAAM,WAAW,iBAAiB;IAChC;;;OAGG;IACH,KAAK,CAAC,EAAE,MAAM,CAAC;CAChB;AAED,yCAAyC;AACzC,MAAM,WAAW,cAAc;IAC7B,gEAAgE;IAChE,UAAU,EAAE,MAAM,UAAU,EAAE,CAAC;IAC/B,6DAA6D;IAC7D,UAAU,EAAE,CAAC,OAAO,EAAE,UAAU,EAAE,KAAK,IAAI,CAAC;IAC5C,0CAA0C;IAC1C,UAAU,EAAE,CAAC,OAAO,EAAE,UAAU,EAAE,KAAK,IAAI,CAAC;IAC5C,4BAA4B;IAC5B,KAAK,EAAE,MAAM,IAAI,CAAC;IAClB,wBAAwB;IACxB,SAAS,EAAE,CAAC,MAAM,EAAE,QAAQ,KAAK,IAAI,CAAC;IACtC,sBAAsB;IACtB,WAAW,EAAE,MAAM,IAAI,CAAC;IACxB;;;;;OAKG;IACH,gBAAgB,EAAE,CAAC,UAAU,EAAE,MAAM,EAAE,OAAO,CAAC,EAAE,iBAAiB,KAAK,IAAI,CAAC;IAC5E,oDAAoD;IACpD,cAAc,EAAE,CAAC,EAAE,EAAE,MAAM,GAAG,IAAI,KAAK,IAAI,CAAC;CAC7C;AAED;;;;;GAKG;AACH,MAAM,WAAW,WAAW;IAC1B,iFAAiF;IACjF,UAAU,EAAE,MAAM,CAAC;IACnB,2EAA2E;IAC3E,UAAU,EAAE,MAAM,GAAG,IAAI,CAAC;CAC3B"}

package/lib/ir/core/irFormat.d.ts

@@ -10,6 +10,8 @@ import type { IrMode } from './irSpectrum.ts';
 export declare const ABSORBANCE_DECIMALS = 3;
 /** How many a percent transmittance is written to. */
 export declare const TRANSMITTANCE_DECIMALS = 1;
+/** How many significant digits an intensity is written to. */
+export declare const INTENSITY_DIGITS = 4;
 /**
  * Write a wavenumber the way a chemist quotes one.
  *
@@ -27,7 +29,9 @@ export declare function formatWavenumber(wavenumber: number): string;
  * Three decimals for an absorbance and one for a percent transmittance, which is
  * roughly the same precision expressed two ways — an absorbance of 0.001 and a
  * transmittance of 0.2 percent are both about where a real spectrum's noise
- * sits.
+ * sits. An intensity is counts from one instrument and a fraction of the
+ * strongest band from another, so no count of decimals suits it: it keeps
+ * `INTENSITY_DIGITS` significant digits instead.
  * @param value - The value.
  * @param mode - Which axis it is in.
  * @returns The number as a string, without its unit.
@@ -36,7 +40,15 @@ export declare function formatIrValue(value: number, mode: IrMode): string;
 /**
  * What the value axis is called where there is room for one word.
  * @param mode - Which axis is being drawn.
- * @returns `A` or `%T`, as a spectrum is annotated by hand.
+ * @returns `A`, `%T` or `I`, as a spectrum is annotated by hand.
  */
 export declare function shortModeLabel(mode: IrMode): string;
+/**
+ * The range a spectrum covers, written in the order its axis is read.
+ * @param wavenumbers - Its wavenumbers, ascending.
+ * @param reversed - Whether the axis runs from high to low, as infrared's does.
+ * @returns `4000–400 cm⁻¹` on a reversed axis, `100–3200 cm⁻¹` on one that is
+ * not, and an empty string for a spectrum with no point.
+ */
+export declare function formatWavenumberRange(wavenumbers: Float64Array, reversed: boolean): string;
 //# sourceMappingURL=irFormat.d.ts.map

package/lib/ir/core/irFormat.d.ts.map

@@ -1 +1 @@
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+{"version":3,"file":"irFormat.d.ts","sourceRoot":"","sources":["../../../src/ir/core/irFormat.ts"],"names":[],"mappings":"AAAA;;;;;;GAMG;AAIH,OAAO,KAAK,EAAE,MAAM,EAAE,MAAM,iBAAiB,CAAC;AAE9C,qDAAqD;AACrD,eAAO,MAAM,mBAAmB,IAAI,CAAC;AAErC,sDAAsD;AACtD,eAAO,MAAM,sBAAsB,IAAI,CAAC;AAExC,8DAA8D;AAC9D,eAAO,MAAM,gBAAgB,IAAI,CAAC;AAElC;;;;;;;;;GASG;AACH,wBAAgB,gBAAgB,CAAC,UAAU,EAAE,MAAM,GAAG,MAAM,CAG3D;AAED;;;;;;;;;;;;GAYG;AACH,wBAAgB,aAAa,CAAC,KAAK,EAAE,MAAM,EAAE,IAAI,EAAE,MAAM,GAAG,MAAM,CAMjE;AAED;;;;GAIG;AACH,wBAAgB,cAAc,CAAC,IAAI,EAAE,MAAM,GAAG,MAAM,CAEnD;AAED;;;;;;GAMG;AACH,wBAAgB,qBAAqB,CACnC,WAAW,EAAE,YAAY,EACzB,QAAQ,EAAE,OAAO,GAChB,MAAM,CAMR"}

package/lib/ir/core/irFormat.js

@@ -5,10 +5,13 @@
  * table beside them must agree to the digit: a band the chart calls 1715 and a
  * row that calls it 1714.6 read as two bands.
  */
+import { formatTrimmed } from "../../format/core/numbers.js";
 /** How many decimals an absorbance is written to. */
 export const ABSORBANCE_DECIMALS = 3;
 /** How many a percent transmittance is written to. */
 export const TRANSMITTANCE_DECIMALS = 1;
+/** How many significant digits an intensity is written to. */
+export const INTENSITY_DIGITS = 4;
 /**
  * Write a wavenumber the way a chemist quotes one.
  *
@@ -30,7 +33,9 @@ export function formatWavenumber(wavenumber) {
  * Three decimals for an absorbance and one for a percent transmittance, which is
  * roughly the same precision expressed two ways — an absorbance of 0.001 and a
  * transmittance of 0.2 percent are both about where a real spectrum's noise
- * sits.
+ * sits. An intensity is counts from one instrument and a fraction of the
+ * strongest band from another, so no count of decimals suits it: it keeps
+ * `INTENSITY_DIGITS` significant digits instead.
  * @param value - The value.
  * @param mode - Which axis it is in.
  * @returns The number as a string, without its unit.
@@ -38,14 +43,38 @@ export function formatWavenumber(wavenumber) {
 export function formatIrValue(value, mode) {
     if (!Number.isFinite(value))
         return '';
-    return value.toFixed(mode === 'absorbance' ? ABSORBANCE_DECIMALS : TRANSMITTANCE_DECIMALS);
+    const { decimals } = VALUE_FORMATS[mode];
+    return decimals === undefined
+        ? formatTrimmed(value, { significant: INTENSITY_DIGITS })
+        : value.toFixed(decimals);
 }
 /**
  * What the value axis is called where there is room for one word.
  * @param mode - Which axis is being drawn.
- * @returns `A` or `%T`, as a spectrum is annotated by hand.
+ * @returns `A`, `%T` or `I`, as a spectrum is annotated by hand.
  */
 export function shortModeLabel(mode) {
-    return mode === 'absorbance' ? 'A' : '%T';
+    return VALUE_FORMATS[mode].symbol;
 }
+/**
+ * The range a spectrum covers, written in the order its axis is read.
+ * @param wavenumbers - Its wavenumbers, ascending.
+ * @param reversed - Whether the axis runs from high to low, as infrared's does.
+ * @returns `4000–400 cm⁻¹` on a reversed axis, `100–3200 cm⁻¹` on one that is
+ * not, and an empty string for a spectrum with no point.
+ */
+export function formatWavenumberRange(wavenumbers, reversed) {
+    const lowest = wavenumbers[0];
+    const highest = wavenumbers.at(-1);
+    if (lowest === undefined || highest === undefined)
+        return '';
+    const [first, last] = reversed ? [highest, lowest] : [lowest, highest];
+    return `${formatWavenumber(first)}–${formatWavenumber(last)} cm⁻¹`;
+}
+/** How each value axis is written: its symbol, and its count of decimals. */
+const VALUE_FORMATS = {
+    transmittance: { symbol: '%T', decimals: TRANSMITTANCE_DECIMALS },
+    absorbance: { symbol: 'A', decimals: ABSORBANCE_DECIMALS },
+    intensity: { symbol: 'I' },
+};
 //# sourceMappingURL=irFormat.js.map